6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]

C19H17Br2NO — CID 4311839

IUPAC6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1cc(Br)cc(Br)c1O2
InChIInChI=1S/C19H17Br2NO/c1-18(2)14-6-4-5-7-16(14)22(3)19(18)9-8-12-10-13(20)11-15(21)17(12)23-19/h4-11H,1-3H3
InChIKeySGACMEJZUBOUBY-UHFFFAOYSA-N
MW435.16 g/mol
LogP5.74
Rot. Bonds

About 6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]

6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole] (PubChem CID 4311839) has the molecular formula C19H17Br2NO and a molecular weight of 435.16 g/mol. Its IUPAC name is 6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]
PubChem CID4311839
Molecular FormulaC19H17Br2NO
Molecular Weight435.16 g/mol
Exact Mass432.97
IUPAC Name6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1cc(Br)cc(Br)c1O2
InChIInChI=1S/C19H17Br2NO/c1-18(2)14-6-4-5-7-16(14)22(3)19(18)9-8-12-10-13(20)11-15(21)17(12)23-19/h4-11H,1-3H3
InChIKeySGACMEJZUBOUBY-UHFFFAOYSA-N
XLogP5.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.16
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The IUPAC name of 6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole] (CID 4311839) is 6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole].
What is the SMILES notation for 6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The canonical SMILES for 6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole] is CN1c2ccccc2C(C)(C)C12C=Cc1cc(Br)cc(Br)c1O2.
What is the InChIKey of 6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The InChIKey is SGACMEJZUBOUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2NO/c1-18(2)14-6-4-5-7-16(14)22(3)19(18)9-8-12-10-13(20)11-15(21)17(12)23-19/h4-11H,1-3H3.
What are the key properties of 6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole] has a molecular weight of 435.16 g/mol, XLogP of 5.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-1',3',3'-trimethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 4311839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).